Effects of interbase electronic coupling and electrode on charge transport through short DNA molecules: A numerical study

We report on theoretical results about the coherent charge transport of short DNA molecules using the transmission approach, as a function of interbase electronic coupling and electrodes. A dinucleotide poly(GC) chain is studied as a generic case, and the transmission coefficient as well as I–VI–V curves are presented. The well-stacked “π  -way” is favorable for conveying charge carriers through short sequences, and the current can be reduced in strong electronic coupling regime. Further, the steplike appearance and threshold voltage in I–VI–V curves dramatically depend on the coupling strength. The electrodes are shown to dominate charge transport of single band and may contribute to the threshold voltage, and the enhancement of conductance in low contact coupling regime is possible.